8020-1549 Screening compound: 5-{[(4-bromothiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

8020-1549 Screening compound: 5-{[(4-bromothiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
8020-1549 Screening compound: 5-{[(4-bromothiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1549
5-{[(4-bromothiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8020-1549

Molecular Formula

C12H10BrN3OS (C12 H10 BrN3 OS)

Compound Name

5-{[(4-bromothiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

5-{[(4-bromothiophen-2-yl)methyl]amino}-23-dihydro-1H-13-benzodiazol-2-one

SMILES

O=C1Nc(cc(cc2)NCc3cc(Br)cs3)c2N1

InChI

InChI=1S/C12H10BrN3OS/c13-7-3-9(18-6-7)5-14-8-1-2-10-11(4-8)16-12(17)15-10/h1-4,6,14H,5H2,(H2,15,16,17)

InChI Key

UGKTXKNTFHLGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11193445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.163

Distribution Coefficient, logD

3.163

Water Solubility, LogSw

-3.32

Polar Surface Area

47.218

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.33

8020-1549 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1549?
Check Price and Availability of 8020-1549, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8020-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1549
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8020-1549 available by request